3-quinolin-8-ylprop-2-enal

C12H9NO — CID 73158990

IUPAC3-quinolin-8-ylprop-2-enal
SMILESO=CC=Cc1cccc2cccnc12
InChIInChI=1S/C12H9NO/c14-9-3-7-11-5-1-4-10-6-2-8-13-12(10)11/h1-9H
InChIKeyCCKMXZFPBLPZAU-UHFFFAOYSA-N
MW183.21 g/mol
LogP2.45
Rot. Bonds2

About 3-quinolin-8-ylprop-2-enal

3-quinolin-8-ylprop-2-enal (PubChem CID 73158990) has the molecular formula C12H9NO and a molecular weight of 183.21 g/mol. Its IUPAC name is 3-quinolin-8-ylprop-2-enal.

Molecular Properties

Compound Name3-quinolin-8-ylprop-2-enal
PubChem CID73158990
Molecular FormulaC12H9NO
Molecular Weight183.21 g/mol
Exact Mass183.07
IUPAC Name3-quinolin-8-ylprop-2-enal
SMILESO=CC=Cc1cccc2cccnc12
InChIInChI=1S/C12H9NO/c14-9-3-7-11-5-1-4-10-6-2-8-13-12(10)11/h1-9H
InChIKeyCCKMXZFPBLPZAU-UHFFFAOYSA-N
XLogP2.45
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-quinolin-8-ylbut-3-enal
CID 170482047
3-quinolin-8-ylprop-2-en-1-ol
CID 57237770
8-[2-[6-[2-[6-(2-quinolin-8-ylethenyl)naphthalen-2-yl]ethenyl]naphthalen-2-yl]ethenyl]quinoline
CID 72565631
8-[(E)-2-[6-[(E)-2-[6-[(E)-2-quinolin-8-ylethenyl]naphthalen-2-yl]ethenyl]naphthalen-2-yl]ethenyl]quinoline
CID 59801174
(E)-4-quinolin-8-ylbut-3-en-1-amine
CID 63968021
3-(2-methoxy-3-pyridinyl)prop-2-enal
CID 169458903
3-[2-(trifluoromethyl)-3-pyridinyl]prop-2-enal
CID 169459390
N-(4-quinolin-8-ylbut-3-enyl)acetamide
CID 170488863
3-(1H-benzimidazol-4-yl)prop-2-enal
CID 169459192
N-methyl-N-(quinolin-8-ylmethylideneamino)methanamine
CID 159110850
3-methyl-2-(quinolin-8-ylmethylidene)butanal
CID 79335081
N-[(1-hydroxycyclobutyl)methyl]-3-quinolin-8-ylprop-2-enamide
CID 111445377

Frequently Asked Questions

What is the IUPAC name of 3-quinolin-8-ylprop-2-enal?
The IUPAC name of 3-quinolin-8-ylprop-2-enal (CID 73158990) is 3-quinolin-8-ylprop-2-enal.
What is the SMILES notation for 3-quinolin-8-ylprop-2-enal?
The canonical SMILES for 3-quinolin-8-ylprop-2-enal is O=CC=Cc1cccc2cccnc12.
What is the InChIKey of 3-quinolin-8-ylprop-2-enal?
The InChIKey is CCKMXZFPBLPZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO/c14-9-3-7-11-5-1-4-10-6-2-8-13-12(10)11/h1-9H.
What are the key properties of 3-quinolin-8-ylprop-2-enal?
3-quinolin-8-ylprop-2-enal has a molecular weight of 183.21 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-quinolin-8-ylprop-2-enal is sourced from PubChem (CID 73158990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).